[Wien] Error in Nearest neighbor program when running TiC example

[John Bevington]

I've tried running "x nn" from a terminal and get the same error.  I have Fedora 9 installed with tcsh version 6.15.00 (Astron).  Should I try a different csh?

-Thanks for you help

----------------------------------------
> Date: Tue, 15 Jul 2008 17:28:27 -0500
> From: L-marks at northwestern.edu
> To: wien at zeus.theochem.tuwien.ac.at
> Subject: Re: [Wien] Error in Nearest neighbor program when running TiC	example
> 
> Recompiling with a different version of ifort/mkl almost certainly
> (99.999%) will have no effect. What the message indicates (probably)
> is that there is something incompatible between the version(s) of
> csh/tcsh that you have on your computer and the ones that the Wien2k
> scripts expect. While fortran is a standard language and something
> written in standard fortran will compile and run on 99.9999% of
> computers, things like the shell commands (tcsh, csh etc) are far from
> standard and vary horribly between different OS's and there is little
> to no universal standard.
> 
> Perhaps it's better to step back slightly. From the sound of it you
> are using the web interface. Can you run simply "x nn" from a terminal
> in the appropriate directory and see if that works. If it does you
> know that it is the web interface. If it fails, let us know how.
> 
> 
> On Tue, Jul 15, 2008 at 4:22 PM, John Bevington  wrote:
>>
>> I tried changing /bin/csh to /bin/tcsh in all *_lapw scripts but that did not correct the error.  Should I try compiling with a different version of ifort and/or mkl?
>>
>> ----------------------------------------
>>> Date: Tue, 15 Jul 2008 14:07:47 +0200
>>> From: pblaha at theochem.tuwien.ac.at
>>> To: wien at zeus.theochem.tuwien.ac.at
>>> Subject: Re: [Wien] Error in Nearest neighbor program when running TiC        example
>>>
>>> Only a vague idea:
>>> Maybe your csh shell is not ok.
>>>
>>> Please edit in $WIENROOT the file x_lapw  and replace /bin/csh by /bin/tcsh
>>>
>>> If this works, you should maybe do this change in all *_lapw scripts (or
>>> install a proper csh, eventually simply copying tcsh over csh).
>>>
>>> John Bevington schrieb:
>>>> After compiling wien2k, I tired to run the TiC example as per the Quick Start instructions in the UG.  I can generate a structure file using StuctGen and view the TiC structure with XCRYSDEN.  However, when I try to run nn (nearest neighbors) under initialize calc I get the following error:
>>>>
>>>> Commandline: x nn
>>>> Program input is: "2 "
>>>>
>>>> argv1: Subscript out of range.
>>>>
>>>> I've searched the mailing list, checked and re-checked the users guide and found nothing.  Am I missing something simple?  Please help...
>>>>
>>>> - Thanks
>>>>
>>>> P.S.  My system info:
>>>>
>>>> Dell workstation T7400 (w/dual Xeon quad core processors)
>>>> Fedora 9
>>>> Intel fortran compiler 10.1.015
>>>> Intel MKL 10.0.3.020
>>>> wien2k v8.2
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>>> --
>>>
>>>                                        P.Blaha
>>> --------------------------------------------------------------------------
>>> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
>>> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
>>> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
>>> --------------------------------------------------------------------------
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>>
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> 
> 
> 
> -- 
> Laurence Marks
> Department of Materials Science and Engineering
> MSE Rm 2036 Cook Hall
> 2220 N Campus Drive
> Northwestern University
> Evanston, IL 60208, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> email: L-marks at northwestern dot edu
> Web: www.numis.northwestern.edu
> Commission on Electron Diffraction of IUCR
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